2-(4-methylphenyl)-1-piperidin-4-ylethanone

C14H19NO — CID 82079035

IUPAC2-(4-methylphenyl)-1-piperidin-4-ylethanone
SMILESCc1ccc(CC(=O)C2CCNCC2)cc1
InChIInChI=1S/C14H19NO/c1-11-2-4-12(5-3-11)10-14(16)13-6-8-15-9-7-13/h2-5,13,15H,6-10H2,1H3
InChIKeyIYHLLMNAVOUHQX-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.11
Rot. Bonds3

About 2-(4-methylphenyl)-1-piperidin-4-ylethanone

2-(4-methylphenyl)-1-piperidin-4-ylethanone (PubChem CID 82079035) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-piperidin-4-ylethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-piperidin-4-ylethanone
PubChem CID82079035
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-(4-methylphenyl)-1-piperidin-4-ylethanone
SMILESCc1ccc(CC(=O)C2CCNCC2)cc1
InChIInChI=1S/C14H19NO/c1-11-2-4-12(5-3-11)10-14(16)13-6-8-15-9-7-13/h2-5,13,15H,6-10H2,1H3
InChIKeyIYHLLMNAVOUHQX-UHFFFAOYSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-2-(4-methylphenyl)ethanone
CID 61080102
1-cycloheptyl-2-(4-methylphenyl)ethanone
CID 62589073
1-cyclooctyl-2-(4-methylphenyl)ethanone
CID 65018872
1-(4-tert-butylcyclohexyl)-2-(4-methylphenyl)ethanone
CID 63527515
2-(3,5-dimethylphenyl)-1-pyrrolidin-3-ylethanone
CID 116568207
2-(4-methylphenyl)-N-(piperidin-4-ylmethyl)acetamide
CID 43152403
2-(3,5-difluorophenyl)-1-piperidin-4-ylethanone
CID 105411850
2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
CID 43603662
N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 82130753
1-(2,3-dihydro-1H-inden-2-yl)-2-(4-methylphenyl)ethanone
CID 65409141
1-piperidin-4-yl-2-pyridin-3-ylethanone
CID 83687076
N-ethyl-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119280403

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-piperidin-4-ylethanone?
The IUPAC name of 2-(4-methylphenyl)-1-piperidin-4-ylethanone (CID 82079035) is 2-(4-methylphenyl)-1-piperidin-4-ylethanone.
What is the SMILES notation for 2-(4-methylphenyl)-1-piperidin-4-ylethanone?
The canonical SMILES for 2-(4-methylphenyl)-1-piperidin-4-ylethanone is Cc1ccc(CC(=O)C2CCNCC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-piperidin-4-ylethanone?
The InChIKey is IYHLLMNAVOUHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-2-4-12(5-3-11)10-14(16)13-6-8-15-9-7-13/h2-5,13,15H,6-10H2,1H3.
What are the key properties of 2-(4-methylphenyl)-1-piperidin-4-ylethanone?
2-(4-methylphenyl)-1-piperidin-4-ylethanone has a molecular weight of 217.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-piperidin-4-ylethanone is sourced from PubChem (CID 82079035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).